Geometry & MOs

Info

ID:	436151
PubChem CID:	135194158
Reduced:	SF2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	358.162746
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	6.23
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-8-[5-(3-fluoropyridin-4-yl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C[C@@H]1CCCC12CCN(CC2)C3=CN=C(C=N3)SC4=CC=CC(=C4F)F

DOS

IR

Vibrations